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

Systemtic Name: N-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[(3-methyl-4-nitro-benzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[(3-methyl-4-nitrobenzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[2-[(3-methyl-4-nitro-benzoyl)amino]ethyl]-1H-quinazoline-2-carboxamide Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-11-10-12(6-7-15(11)24(28)29)17(25)20-8-9-21-19(27)16-22-14-5-3-2-4-13(14)18(26)23-16/h2-7,10H,8-9H2,1H3,(H,20,25)(H,21,27)(H,22,23,26)