2-chloranyl-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitro-aniline CAS Name: 2-chloro-N-[(S)-(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]amine Formula: C19H19ClN4O4 MolecularWeight: 402.83156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O4/c1-23-7-6-21-19(23)18(12-8-14(27-2)11-15(9-12)28-3)22-17-5-4-13(24(25)26)10-16(17)20/h4-11,18,22H,1-3H3/t18-/m0/s1