methyl 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[(E)-3-(3-nitrophenyl)acryloyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-25-17(22)18(11-4-2-3-5-12-18)19-16(21)10-9-14-7-6-8-15(13-14)20(23)24/h6-10,13H,2-5,11-12H2,1H3,(H,19,21)/b10-9+