N3-[2-(5-methyl-1H-indol-3-yl)ethyl]-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N3-[2-(5-methyl-1H-indol-3-yl)ethyl]-4,6-dinitro-benzene-1,3-diamine Openeye Name: N3-[2-(5-methyl-1H-indol-3-yl)ethyl]-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-[2-(5-methyl-1H-indol-3-yl)ethyl]-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 3-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4,6-dinitrobenzene-1,3-diamine Traditional Name: (5-amino-2,4-dinitro-phenyl)-[2-(5-methyl-1H-indol-3-yl)ethyl]amine Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C(=C3)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C(=C3)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-10-2-3-14-12(6-10)11(9-20-14)4-5-19-15-7-13(18)16(21(23)24)8-17(15)22(25)26/h2-3,6-9,19-20H,4-5,18H2,1H3