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

Systemtic Name: 2-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-5-nitro-benzonitrile Formula: C19H17N5O3 MolecularWeight: 363.36998

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3/c1-23-9-8-21-19(23)18(13-4-3-5-16(11-13)27-2)22-17-7-6-15(24(25)26)10-14(17)12-20/h3-11,18,22H,1-2H3/t18-/m0/s1