ethyl 6,7-dimethyl-1-(3-nitrophenyl)carbonyl-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 6,7-dimethyl-1-(3-nitrophenyl)carbonyl-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-benzyl-6,7-dimethyl-1-(3-nitrobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate CAS Name: 6,7-dimethyl-1-[(3-nitrophenyl)-oxomethyl]-4-(phenylmethyl)-3-pyrrolo[1,2-a]benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-6,7-dimethyl-1-(3-nitrobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-benzyl-6,7-dimethyl-1-(3-nitrobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C29H25N3O5 MolecularWeight: 495.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=C(C(=C3)C)C)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=C(C(=C3)C)C)CC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O5/c1-4-37-29(34)23-16-26(27(33)21-11-8-12-22(15-21)32(35)36)31-25-14-19(3)18(2)13-24(25)30(28(23)31)17-20-9-6-5-7-10-20/h5-16H,4,17H2,1-3H3