methyl 4-[3-ethoxy-2-[(4-methoxycarbonylphenyl)methyl]-2-nitro-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 4-[3-ethoxy-2-[(4-methoxycarbonylphenyl)methyl]-2-nitro-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 4-[3-ethoxy-2-[(4-methoxycarbonylphenyl)methyl]-2-nitro-3-oxo-propyl]benzoate CAS Name: 4-[3-ethoxy-2-[(4-methoxycarbonylphenyl)methyl]-2-nitro-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-ethoxy-2-[(4-methoxycarbonylphenyl)methyl]-2-nitro-3-oxopropyl]benzoate Traditional Name: 4-[2-(4-carbomethoxybenzyl)-3-ethoxy-3-keto-2-nitro-propyl]benzoic acid methyl ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC)(CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC)(CC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO8/c1-4-31-21(26)22(23(27)28,13-15-5-9-17(10-6-15)19(24)29-2)14-16-7-11-18(12-8-16)20(25)30-3/h5-12H,4,13-14H2,1-3H3