4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(indan-5-ylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(indan-5-ylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c19-18(23)13-5-7-16(15(9-13)21(24)25)26-10-17(22)20-14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2,(H2,19,23)(H,20,22)