[(E)-3-(cyclopropylamino)prop-2-enoyl] 2-nitrobenzoate

Systemtic Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 2-nitrobenzoate Openeye Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(E)-3-(cyclopropylamino)-1-oxoprop-2-enyl] ester IUPAC Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(E)-3-(cyclopropylamino)acryloyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC=CC(=O)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC1N/C=C/C(=O)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5/c16-12(7-8-14-9-5-6-9)20-13(17)10-3-1-2-4-11(10)15(18)19/h1-4,7-9,14H,5-6H2/b8-7+