O1-methyl O3-[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O7/c1-17(2)28(22-11-9-21(10-12-22)27-20-7-5-4-6-8-20)24(30)16-36-26(32)19-13-18(25(31)35-3)14-23(15-19)29(33)34/h4-15,17,27H,16H2,1-3H3