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

Systemtic Name: N-[3-[methyl-(2-methyl-3-nitro-phenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(2-methyl-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(2-methyl-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-(2-methyl-3-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[N+](=O)[O-])C(=O)N(C)CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

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