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

Systemtic Name: 2-azanyl-3-[4-[[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[(E)-(5-nitro-2-oxo-indolin-3-ylidene)-phenyl-methyl]amino]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[[(E)-(2-keto-5-nitro-indolin-3-ylidene)-phenyl-methyl]amino]phenyl]propionic acid Formula: C24H20N4O5 MolecularWeight: 444.4394

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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)CC(C(=O)O)N

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)CC(C(=O)O)N

InChI

InChI=1S/C24H20N4O5/c25-19(24(30)31)12-14-6-8-16(9-7-14)26-22(15-4-2-1-3-5-15)21-18-13-17(28(32)33)10-11-20(18)27-23(21)29/h1-11,13,19,26H,12,25H2,(H,27,29)(H,30,31)/b22-21+