N-[3-[(4-methoxy-3-nitro-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(4-methoxy-3-nitro-phenyl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-methoxy-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-methoxy-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[(4-methoxy-3-nitro-benzoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C20H19N5O6 MolecularWeight: 425.39476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6/c1-31-16-8-7-12(11-15(16)25(29)30)18(26)21-9-4-10-22-20(28)17-23-14-6-3-2-5-13(14)19(27)24-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,26)(H,22,28)(H,23,24,27)