methyl 4-[[3-(imidazol-1-ylmethyl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[[3-(imidazol-1-ylmethyl)phenyl]amino]-3-nitro-benzoate Openeye Name: methyl 4-[3-(imidazol-1-ylmethyl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(1-imidazolylmethyl)anilino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[3-(imidazol-1-ylmethyl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(imidazol-1-ylmethyl)anilino]-3-nitro-benzoic acid methyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4/c1-26-18(23)14-5-6-16(17(10-14)22(24)25)20-15-4-2-3-13(9-15)11-21-8-7-19-12-21/h2-10,12,20H,11H2,1H3