2-[[4-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-4-nitro-phenolate

Systemtic Name: 2-[[4-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-4-nitro-phenolate Openeye Name: 2-[(4-benzamido-9,10-dioxo-1-anthryl)amino]-4-nitro-phenolate CAS Name: 2-[(4-benzamido-9,10-dioxo-1-anthracenyl)amino]-4-nitrophenolate IUPAC Name: 2-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-4-nitrophenolate Traditional Name: 2-[(4-benzamido-9,10-diketo-1-anthryl)amino]-4-nitro-phenolate Formula: C27H16N3O6- MolecularWeight: 478.43244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C(C=CC(=C4)[N+](=O)[O-])[O-])C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H17N3O6/c31-22-13-10-16(30(35)36)14-21(22)28-19-11-12-20(29-27(34)15-6-2-1-3-7-15)24-23(19)25(32)17-8-4-5-9-18(17)26(24)33/h1-14,28,31H,(H,29,34)/p-1