[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-11(17-9-12-4-2-3-5-16(12)28-17)21-18(23)10-27-19(24)13-6-7-14(20)15(8-13)22(25)26/h2-9,11H,10,20H2,1H3,(H,21,23)/t11-/m0/s1