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

Systemtic Name: N-[3-[methyl-(3-methyl-4-nitro-phenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(3-methyl-4-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(3-methyl-4-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(3-methyl-4-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-(3-methyl-4-nitro-benzoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-13-12-14(8-9-17(13)26(30)31)21(29)25(2)11-5-10-22-20(28)18-23-16-7-4-3-6-15(16)19(27)24-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,28)(H,23,24,27)