cyclohexyl 4-[bis(phenylmethyl)amino]-3-nitro-benzoate

Systemtic Name: cyclohexyl 4-[bis(phenylmethyl)amino]-3-nitro-benzoate Openeye Name: cyclohexyl 4-(dibenzylamino)-3-nitro-benzoate CAS Name: 4-[bis(phenylmethyl)amino]-3-nitrobenzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(dibenzylamino)-3-nitrobenzoate Traditional Name: 4-(dibenzylamino)-3-nitro-benzoic acid cyclohexyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC(=C(C=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O4/c30-27(33-24-14-8-3-9-15-24)23-16-17-25(26(18-23)29(31)32)28(19-21-10-4-1-5-11-21)20-22-12-6-2-7-13-22/h1-2,4-7,10-13,16-18,24H,3,8-9,14-15,19-20H2