4-[[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid Openeye Name: 4-[[(E)-(5-nitro-2-oxo-indolin-3-ylidene)-phenyl-methyl]amino]benzoic acid CAS Name: 4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid Traditional Name: 4-[[(E)-(2-keto-5-nitro-indolin-3-ylidene)-phenyl-methyl]amino]benzoic acid Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H15N3O5/c26-21-19(17-12-16(25(29)30)10-11-18(17)24-21)20(13-4-2-1-3-5-13)23-15-8-6-14(7-9-15)22(27)28/h1-12,23H,(H,24,26)(H,27,28)/b20-19+