2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]iminomethyl]-4-nitro-phenolate Formula: C16H13BrN3O4- MolecularWeight: 391.19612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14BrN3O4/c1-10-6-12(17)2-4-14(10)19-16(22)9-18-8-11-7-13(20(23)24)3-5-15(11)21/h2-8,21H,9H2,1H3,(H,19,22)/p-1