2-azanyl-1-methyl-5-[(3-nitrophenyl)methoxy]indole-3-carbonitrile

Systemtic Name: 2-azanyl-1-methyl-5-[(3-nitrophenyl)methoxy]indole-3-carbonitrile Openeye Name: 2-amino-1-methyl-5-[(3-nitrophenyl)methoxy]indole-3-carbonitrile CAS Name: 2-amino-1-methyl-5-[(3-nitrophenyl)methoxy]-3-indolecarbonitrile IUPAC Name: 2-amino-1-methyl-5-[(3-nitrophenyl)methoxy]indole-3-carbonitrile Traditional Name: 2-amino-1-methyl-5-(3-nitrobenzyl)oxy-indole-3-carbonitrile Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=C1N)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=C1N)C#N

InChI

InChI=1S/C17H14N4O3/c1-20-16-6-5-13(8-14(16)15(9-18)17(20)19)24-10-11-3-2-4-12(7-11)21(22)23/h2-8H,10,19H2,1H3