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

Systemtic Name: methyl 3-[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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