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

Systemtic Name: 2-hydroxyethyl 4-[[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]-3-nitro-benzoate Openeye Name: 2-hydroxyethyl 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-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 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-hydroxyethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)N)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c22-20(28)14-24-6-8-25(9-7-24)17-3-1-2-16(13-17)23-18-5-4-15(12-19(18)26(30)31)21(29)32-11-10-27/h1-5,12-13,23,27H,6-11,14H2,(H2,22,28)