[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C22H25N3O7/c1-31-18-7-2-15(3-8-18)13-24(16-4-5-16)21(27)14-32-22(28)19-12-17(25(29)30)6-9-20(19)23-10-11-26/h2-3,6-9,12,16,23,26H,4-5,10-11,13-14H2,1H3