ethyl 2,5-dimethyl-4-[2-[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonyloxyethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(benzylamino)-5-nitro-benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[[5-nitro-2-[(phenylmethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(benzylamino)-5-nitrobenzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(benzylamino)-5-nitro-benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C)C

InChI

InChI=1S/C25H25N3O7/c1-4-34-25(31)23-16(3)27-15(2)22(23)21(29)14-35-24(30)19-12-18(28(32)33)10-11-20(19)26-13-17-8-6-5-7-9-17/h5-12,26-27H,4,13-14H2,1-3H3