4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-nitro-N-[(3-nitrophenyl)methyl]benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-nitro-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-nitro-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-nitro-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-nitro-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-2-nitro-N-(3-nitrobenzyl)benzamide Formula: C27H22N6O6 MolecularWeight: 526.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H22N6O6/c1-3-11-31(16-19-7-10-24-23(13-19)27(35)30-17(2)29-24)20-8-9-22(25(14-20)33(38)39)26(34)28-15-18-5-4-6-21(12-18)32(36)37/h1,4-10,12-14H,11,15-16H2,2H3,(H,28,34)(H,29,30,35)