N-methyl-4-(methylamino)-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide

Systemtic Name: N-methyl-4-(methylamino)-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: N-methyl-4-(methylamino)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: N-methyl-4-(methylamino)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: N-methyl-4-(methylamino)-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4-(methylamino)-3-nitro-benzamide Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4/c1-19-14-8-7-11(9-15(14)23(26)27)18(25)22(2)10-16-20-13-6-4-3-5-12(13)17(24)21-16/h3-9,19H,10H2,1-2H3,(H,20,21,24)