methyl 4-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzoate Openeye Name: methyl 4-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzoate CAS Name: 4-[[(S)-(1-methyl-2-imidazolyl)-phenylmethyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[(S)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-nitrobenzoate Traditional Name: 4-[[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-3-nitro-benzoic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c1-22-11-10-20-18(22)17(13-6-4-3-5-7-13)21-15-9-8-14(19(24)27-2)12-16(15)23(25)26/h3-12,17,21H,1-2H3/t17-/m0/s1