dimethyl (2Z,3Z)-2-(1-methylpyrrolidin-2-ylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]butanedioate

Systemtic Name: dimethyl (2Z,3Z)-2-(1-methylpyrrolidin-2-ylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]butanedioate Openeye Name: dimethyl (2Z,3Z)-2-(1-methylpyrrolidin-2-ylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylene]butanedioate CAS Name: (2Z,3Z)-2-(1-methyl-2-pyrrolidinylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2Z,3Z)-2-(1-methylpyrrolidin-2-ylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylidene]butanedioate Traditional Name: (2Z,3Z)-2-(1-methylpyrrolidin-2-ylidene)-3-[(6-nitro-1,3-benzothiazol-2-yl)methylene]succinic acid dimethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=C(C(=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC

Isomeric SMILES

CN\1CCC/C1=C(\C(=C\C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C19H19N3O6S/c1-21-8-4-5-14(21)17(19(24)28-3)12(18(23)27-2)10-16-20-13-7-6-11(22(25)26)9-15(13)29-16/h6-7,9-10H,4-5,8H2,1-3H3/b12-10-,17-14-