3-(imidazol-1-ylmethyl)-5-nitro-1-(phenylmethyl)indole-2-carbaldehyde

Systemtic Name: 3-(imidazol-1-ylmethyl)-5-nitro-1-(phenylmethyl)indole-2-carbaldehyde Openeye Name: 1-benzyl-3-(imidazol-1-ylmethyl)-5-nitro-indole-2-carbaldehyde CAS Name: 3-(1-imidazolylmethyl)-5-nitro-1-(phenylmethyl)-2-indolecarboxaldehyde IUPAC Name: 1-benzyl-3-(imidazol-1-ylmethyl)-5-nitroindole-2-carbaldehyde Traditional Name: 1-benzyl-3-(imidazol-1-ylmethyl)-5-nitro-indole-2-carbaldehyde Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=O)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=O)CN4C=CN=C4

InChI

InChI=1S/C20H16N4O3/c25-13-20-18(12-22-9-8-21-14-22)17-10-16(24(26)27)6-7-19(17)23(20)11-15-4-2-1-3-5-15/h1-10,13-14H,11-12H2