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

Systemtic Name: N-[3-[(4-methoxy-3-nitro-phenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-methoxy-3-nitro-benzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-methoxy-3-nitrophenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-methoxy-3-nitrobenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[(4-methoxy-3-nitro-benzoyl)-methyl-amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O6/c1-25(21(29)13-8-9-17(32-2)16(12-13)26(30)31)11-5-10-22-20(28)18-23-15-7-4-3-6-14(15)19(27)24-18/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,28)(H,23,24,27)