azanium 2,4-dinitro-6-[(2Z)-2-[2-oxidanylidene-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenolate

Systemtic Name: azanium 2,4-dinitro-6-[(2Z)-2-[2-oxidanylidene-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenolate Openeye Name: ammonium 2,4-dinitro-6-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)-1-naphthylidene]hydrazino]phenolate CAS Name: ammonium 2-[(2Z)-2-[3-[anilino(oxo)methyl]-2-oxo-1-naphthalenylidene]hydrazinyl]-4,6-dinitrophenolate IUPAC Name: azanium 2,4-dinitro-6-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]phenolate Traditional Name: ammonium 2-[(N'Z)-N'-[2-keto-3-(phenylcarbamoyl)-1-naphthylidene]hydrazino]-4,6-dinitro-phenolate Formula: C46H32N11O14- MolecularWeight: 962.81158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=NNC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])C2=O.C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=NNC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])C2=O.[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3/C(=N/NC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])/C2=O.C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3/C(=N/NC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])/C2=O.[NH4+]

InChI

InChI=1S/2C23H15N5O7.H3N/c2*29-21-17(23(31)24-14-7-2-1-3-8-14)10-13-6-4-5-9-16(13)20(21)26-25-18-11-15(27(32)33)12-19(22(18)30)28(34)35;/h2*1-12,25,30H,(H,24,31);1H3/p-1/b2*26-20-;