[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C2CC2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)C2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-3-23-14-7-6-12(8-13(14)18(21)22)16(20)24-9-15(19)17-10(2)11-4-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,19)/t10-/m1/s1