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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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