ethyl 4-[2-[[2-[(3-methoxyphenyl)carbamoyl]-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[2-[(3-methoxyphenyl)carbamoyl]-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(3-methoxyphenyl)carbamoyl]-4-nitro-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-[(3-methoxyanilino)-oxomethyl]-4-nitroanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-methoxyphenyl)carbamoyl]-4-nitroanilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-[(3-methoxyphenyl)carbamoyl]-4-nitro-anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H28N5O7+ MolecularWeight: 486.49772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H27N5O7/c1-3-35-23(31)27-11-9-26(10-12-27)15-21(29)25-20-8-7-17(28(32)33)14-19(20)22(30)24-16-5-4-6-18(13-16)34-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,30)(H,25,29)/p+1