[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O8/c1-11(12-3-6-16-17(8-12)29-10-28-16)20-18(22)9-27-19(23)13-4-5-15(26-2)14(7-13)21(24)25/h3-8,11H,9-10H2,1-2H3,(H,20,22)/t11-/m0/s1