1-methyl-4,6-dinitro-3-(phenylmethyl)indole

Systemtic Name: 1-methyl-4,6-dinitro-3-(phenylmethyl)indole Openeye Name: 3-benzyl-1-methyl-4,6-dinitro-indole CAS Name: 1-methyl-4,6-dinitro-3-(phenylmethyl)indole IUPAC Name: 3-benzyl-1-methyl-4,6-dinitroindole Traditional Name: 3-benzyl-1-methyl-4,6-dinitro-indole Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C(C=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=C(C=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O4/c1-17-10-12(7-11-5-3-2-4-6-11)16-14(17)8-13(18(20)21)9-15(16)19(22)23/h2-6,8-10H,7H2,1H3