methyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[(2-chloro-4-nitro-benzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-nitrobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[(2-chloro-4-nitro-benzoyl)amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O5/c1-23-7-9-24(10-8-23)18-6-3-13(20(27)30-2)11-17(18)22-19(26)15-5-4-14(25(28)29)12-16(15)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)