methyl 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17ClN4O5/c1-23(9-12-7-13(24(27)28)4-6-15(12)20)10-17-21-16-8-11(19(26)29-2)3-5-14(16)18(25)22-17/h3-8H,9-10H2,1-2H3,(H,21,22,25)