methyl 2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxylate

Systemtic Name: methyl 2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-1H-quinazoline-8-carboxylate Openeye Name: methyl 2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylate CAS Name: 2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxylate Traditional Name: 2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazoline-8-carboxylic acid methyl ester Formula: C16H10Cl2N4O5 MolecularWeight: 409.1804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2N4O5/c1-27-15(24)10-6-8(22(25)26)5-9-13(10)20-16(21-14(9)23)19-7-2-3-11(17)12(18)4-7/h2-6H,1H3,(H2,19,20,21,23)