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

Systemtic Name: ethyl 5-[2-[4-(azepan-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(azepan-1-yl)-3-nitrobenzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(azepan-1-yl)-3-nitro-benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H29N3O7 MolecularWeight: 471.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C24H29N3O7/c1-4-33-24(30)21-15(2)22(25-16(21)3)20(28)14-34-23(29)17-9-10-18(19(13-17)27(31)32)26-11-7-5-6-8-12-26/h9-10,13,25H,4-8,11-12,14H2,1-3H3