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

Systemtic Name: 3-[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]propanoic acid Openeye Name: 3-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]propanoic acid CAS Name: 3-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]propanoic acid IUPAC Name: 3-[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]propanoic acid Traditional Name: 3-[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazolin-8-yl]propionic acid Formula: C17H12Cl2N4O5 MolecularWeight: 423.20698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=O)C3=CC(=CC(=C3N2)CCC(=O)O)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=O)C3=CC(=CC(=C3N2)CCC(=O)O)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H12Cl2N4O5/c18-12-3-2-9(6-13(12)19)20-17-21-15-8(1-4-14(24)25)5-10(23(27)28)7-11(15)16(26)22-17/h2-3,5-7H,1,4H2,(H,24,25)(H2,20,21,22,26)