3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-3-quinoxalin-2-yl-propanamide

Systemtic Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-3-quinoxalin-2-yl-propanamide Openeye Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-quinoxalin-2-yl-propanamide CAS Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(2-quinoxalinyl)propanamide IUPAC Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-quinoxalin-2-ylpropanamide Traditional Name: 2-keto-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-quinoxalin-2-yl-propionamide Formula: C18H10N6O6S MolecularWeight: 438.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H10N6O6S/c25-16(15(24(29)30)13-8-19-10-3-1-2-4-11(10)20-13)17(26)22-18-21-12-6-5-9(23(27)28)7-14(12)31-18/h1-8,15H,(H,21,22,26)