2-methoxyethyl 4-[[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]-3-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-[[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]anilino]-3-nitro-benzoate CAS Name: 4-[3-[4-(2-amino-2-oxoethyl)-1-piperazinyl]anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]anilino]-3-nitrobenzoate Traditional Name: 4-[3-[4-(2-amino-2-keto-ethyl)piperazino]anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O6/c1-32-11-12-33-22(29)16-5-6-19(20(13-16)27(30)31)24-17-3-2-4-18(14-17)26-9-7-25(8-10-26)15-21(23)28/h2-6,13-14,24H,7-12,15H2,1H3,(H2,23,28)