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

Systemtic Name: methyl 3-nitro-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 3-[benzyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(4-oxo-1H-quinazolin-2-yl)methyl-(phenylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[benzyl-[(4-keto-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C25H20N4O6 MolecularWeight: 472.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O6/c1-35-25(32)18-11-17(12-19(13-18)29(33)34)24(31)28(14-16-7-3-2-4-8-16)15-22-26-21-10-6-5-9-20(21)23(30)27-22/h2-13H,14-15H2,1H3,(H,26,27,30)