methyl 2-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoate CAS Name: 2-[[(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitrobenzoate Traditional Name: 2-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzoic acid methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-23-10-9-21-19(23)18(13-5-4-6-15(11-13)28-2)22-17-8-7-14(24(26)27)12-16(17)20(25)29-3/h4-12,18,22H,1-3H3