2-[[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazoline-8-carbonyl]amino]-3-phenyl-propionic acid Formula: C24H17Cl2N5O6 MolecularWeight: 542.32768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C3C(=CC(=C2)[N+](=O)[O-])C(=O)N=C(N3)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H17Cl2N5O6/c25-17-7-6-13(9-18(17)26)27-24-29-20-15(10-14(31(36)37)11-16(20)22(33)30-24)21(32)28-19(23(34)35)8-12-4-2-1-3-5-12/h1-7,9-11,19H,8H2,(H,28,32)(H,34,35)(H2,27,29,30,33)