2-methoxyethyl 4-[[3-(4-methylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-[[3-(4-methylpiperazin-1-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[3-(4-methylpiperazin-1-yl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(4-methyl-1-piperazinyl)anilino]-3-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[3-(4-methylpiperazin-1-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(4-methylpiperazino)anilino]-3-nitro-benzoic acid 2-methoxyethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-23-8-10-24(11-9-23)18-5-3-4-17(15-18)22-19-7-6-16(14-20(19)25(27)28)21(26)30-13-12-29-2/h3-7,14-15,22H,8-13H2,1-2H3