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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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