[4-(4-octoxycarbonylphenyl)phenyl] 4-methoxycarbonyloxy-3-nitro-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-methoxycarbonyloxy-3-nitro-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-methoxycarbonyloxy-3-nitro-benzoate CAS Name: 4-methoxycarbonyloxy-3-nitrobenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-methoxycarbonyloxy-3-nitrobenzoate Traditional Name: 4-carbomethoxyoxy-3-nitro-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C30H31NO9 MolecularWeight: 549.56844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H31NO9/c1-3-4-5-6-7-8-19-38-28(32)23-11-9-21(10-12-23)22-13-16-25(17-14-22)39-29(33)24-15-18-27(40-30(34)37-2)26(20-24)31(35)36/h9-18,20H,3-8,19H2,1-2H3