methyl 3-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethoxy]benzoate Openeye Name: methyl 4-[2-[benzyl(isopropyl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[benzyl(propan-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[benzyl(isopropyl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-14(2)21(12-15-7-5-4-6-8-15)19(23)13-28-18-10-9-16(20(24)27-3)11-17(18)22(25)26/h4-11,14H,12-13H2,1-3H3