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

Systemtic Name: ethyl 3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-3-30-20(27)13-8-12(9-14(10-13)24(28)29)19(26)23(2)11-17-21-16-7-5-4-6-15(16)18(25)22-17/h4-10H,3,11H2,1-2H3,(H,21,22,25)