methyl 3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H16N4O6/c1-22(10-16-20-15-6-4-3-5-14(15)17(24)21-16)18(25)11-7-12(19(26)29-2)9-13(8-11)23(27)28/h3-9H,10H2,1-2H3,(H,20,21,24)