N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)-2,4-bis(oxidanylidene)butanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)-2,4-bis(oxidanylidene)butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)-2,4-dioxo-butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)-2,4-dioxobutanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)-2,4-dioxobutanamide Traditional Name: 2,4-diketo-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-nitrophenyl)butyramide Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-27-12-6-7-13-16(8-12)28-18(19-13)20-17(24)15(23)9-14(22)10-2-4-11(5-3-10)21(25)26/h2-8H,9H2,1H3,(H,19,20,24)