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

Systemtic Name: 4-(cyclopropylamino)-N-ethyl-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzamide Openeye Name: 4-(cyclopropylamino)-N-ethyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide CAS Name: 4-(cyclopropylamino)-N-ethyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide IUPAC Name: 4-(cyclopropylamino)-N-ethyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide Traditional Name: 4-(cyclopropylamino)-N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-2-25(12-19-23-16-6-4-3-5-15(16)20(27)24-19)21(28)13-7-10-17(22-14-8-9-14)18(11-13)26(29)30/h3-7,10-11,14,22H,2,8-9,12H2,1H3,(H,23,24,27)