ethyl 7-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]-4-pentanoyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-3-carboxylate

Systemtic Name: ethyl 7-[[(2-methoxycarbonyl-6-nitro-phenyl)amino]methyl]-4-pentanoyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-3-carboxylate Openeye Name: ethyl 7-[(2-methoxycarbonyl-6-nitro-anilino)methyl]-4-pentanoyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-3-carboxylate CAS Name: 7-[(2-methoxycarbonyl-6-nitroanilino)methyl]-4-(1-oxopentyl)-2-phenyl-3-imidazo[1,2-a]pyridin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-[(2-methoxycarbonyl-6-nitroanilino)methyl]-4-pentanoyl-2-phenylimidazo[1,2-a]pyridin-4-ium-3-carboxylate Traditional Name: 7-[(2-carbomethoxy-6-nitro-anilino)methyl]-2-phenyl-4-valeryl-imidazo[1,2-a]pyridin-4-ium-3-carboxylic acid ethyl ester Formula: C30H31N4O7+ MolecularWeight: 559.58974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]12C=CC(=CC1=NC(=C2C(=O)OCC)C3=CC=CC=C3)CNC4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC(=O)[N+]12C=CC(=CC1=NC(=C2C(=O)OCC)C3=CC=CC=C3)CNC4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C30H30N4O7/c1-4-6-15-25(35)34-17-16-20(19-31-27-22(29(36)40-3)13-10-14-23(27)33(38)39)18-24(34)32-26(21-11-8-7-9-12-21)28(34)30(37)41-5-2/h7-14,16-18H,4-6,15,19H2,1-3H3/p+1