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

Systemtic Name: N-[3-[methyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-[(E)-3-(3-nitrophenyl)acryloyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C22H21N5O5 MolecularWeight: 435.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O5/c1-26(19(28)11-10-15-6-4-7-16(14-15)27(31)32)13-5-12-23-22(30)20-24-18-9-3-2-8-17(18)21(29)25-20/h2-4,6-11,14H,5,12-13H2,1H3,(H,23,30)(H,24,25,29)/b11-10+