methyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[(E)-3-(2-nitrophenyl)acryloyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-29-21(26)16-8-10-19(23-12-4-5-13-23)17(14-16)22-20(25)11-9-15-6-2-3-7-18(15)24(27)28/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,25)/b11-9+