(3R)-N-(2-methylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxidanylidene-propanamide

Systemtic Name: (3R)-N-(2-methylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxidanylidene-propanamide Openeye Name: (3R)-3-nitro-3-(7-nitroquinoxalin-2-yl)-N-(o-tolyl)-2-oxo-propanamide CAS Name: (3R)-N-(2-methylphenyl)-3-nitro-3-(7-nitro-2-quinoxalinyl)-2-oxopropanamide IUPAC Name: (3R)-N-(2-methylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide Traditional Name: (3R)-2-keto-3-nitro-3-(7-nitroquinoxalin-2-yl)-N-(o-tolyl)propionamide Formula: C18H13N5O6 MolecularWeight: 395.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=O)[C@@H](C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6/c1-10-4-2-3-5-12(10)21-18(25)17(24)16(23(28)29)15-9-19-13-7-6-11(22(26)27)8-14(13)20-15/h2-9,16H,1H3,(H,21,25)/t16-/m1/s1