ethyl 4-[3-(3-nitrophenyl)carbonylpyrrolo[2,3-b]pyridin-1-yl]butanoate

Systemtic Name: ethyl 4-[3-(3-nitrophenyl)carbonylpyrrolo[2,3-b]pyridin-1-yl]butanoate Openeye Name: ethyl 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate CAS Name: 4-[3-[(3-nitrophenyl)-oxomethyl]-1-pyrrolo[2,3-b]pyridinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate Traditional Name: 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butyric acid ethyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=C1N=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=C1N=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-2-28-18(24)9-5-11-22-13-17(16-8-4-10-21-20(16)22)19(25)14-6-3-7-15(12-14)23(26)27/h3-4,6-8,10,12-13H,2,5,9,11H2,1H3