4-[[4-(4-chloranyl-3-nitro-phenyl)-3-cyano-4H-benzo[h]chromen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-chloranyl-3-nitro-phenyl)-3-cyano-4H-benzo[h]chromen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(4-chloro-3-nitro-phenyl)-3-cyano-4H-benzo[h]chromen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-chloro-3-nitrophenyl)-3-cyano-4H-benzo[h][1]benzopyran-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-chloro-3-nitrophenyl)-3-cyano-4H-benzo[h]chromen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(4-chloro-3-nitro-phenyl)-3-cyano-4H-benzo[h]chromen-2-yl]amino]-4-keto-butyric acid Formula: C24H16ClN3O6 MolecularWeight: 477.85334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C#N)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C24H16ClN3O6/c25-18-8-6-14(11-19(18)28(32)33)22-16-7-5-13-3-1-2-4-15(13)23(16)34-24(17(22)12-26)27-20(29)9-10-21(30)31/h1-8,11,22H,9-10H2,(H,27,29)(H,30,31)