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

Systemtic Name: 2-[[2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazolin-8-yl]carbonylamino]-3-methyl-butanoate Openeye Name: 2-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazolin-8-yl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: 2-[[2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carbonyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazoline-8-carbonyl]amino]-3-methyl-butyrate Formula: C20H16Cl2N5O6- MolecularWeight: 493.27694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)N=C(N2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)[O-])NC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)N=C(N2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5O6/c1-8(2)15(19(30)31)24-17(28)11-6-10(27(32)33)7-12-16(11)25-20(26-18(12)29)23-9-3-4-13(21)14(22)5-9/h3-8,15H,1-2H3,(H,24,28)(H,30,31)(H2,23,25,26,29)/p-1