[(E)-prop-1-enyl] 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitro-benzoate

Systemtic Name: [(E)-prop-1-enyl] 3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitro-benzoate Openeye Name: [(E)-prop-1-enyl] 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitro-benzoate CAS Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitrobenzoic acid [(E)-prop-1-enyl] ester IUPAC Name: [(E)-prop-1-enyl] 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitrobenzoate Traditional Name: 3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)-5-nitro-benzoic acid [(E)-prop-1-enyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C2CCCCC(=N2)N

Isomeric SMILES

C/C=C/OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C2CCCCC(=N2)N

InChI

InChI=1S/C16H19N3O4/c1-2-7-23-16(20)12-8-11(9-13(10-12)19(21)22)14-5-3-4-6-15(17)18-14/h2,7-10,14H,3-6H2,1H3,(H2,17,18)/b7-2+