2-dimethylaminoethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-dimethylaminoethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(4-acetyl-1-piperazinyl)anilino]-3-nitrobenzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[3-(4-acetylpiperazin-1-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(4-acetylpiperazino)anilino]-3-nitro-benzoic acid 2-dimethylaminoethyl ester Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5/c1-17(29)26-9-11-27(12-10-26)20-6-4-5-19(16-20)24-21-8-7-18(15-22(21)28(31)32)23(30)33-14-13-25(2)3/h4-8,15-16,24H,9-14H2,1-3H3