N-[3-[methyl-(3-nitrophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[methyl-(3-nitrophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-(3-nitrobenzoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C20H19N5O5 MolecularWeight: 409.39536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-24(20(28)13-6-4-7-14(12-13)25(29)30)11-5-10-21-19(27)17-22-16-9-3-2-8-15(16)18(26)23-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,27)(H,22,23,26)