methyl (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-nitro-prop-2-enoate

Systemtic Name: methyl (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-nitro-prop-2-enoate Openeye Name: methyl (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-nitro-prop-2-enoate CAS Name: (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-nitro-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-nitroprop-2-enoate Traditional Name: (E)-3-benzamido-2-[(2S)-2-(methoxymethyl)pyrrolidino]-3-nitro-acrylic acid methyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C(=C(NC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC[C@@H]1CCCN1/C(=C(\NC(=O)C2=CC=CC=C2)/[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C17H21N3O6/c1-25-11-13-9-6-10-19(13)14(17(22)26-2)15(20(23)24)18-16(21)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,18,21)/b15-14+/t13-/m0/s1