N-methyl-2-(4-nitrophenyl)ethanamine; 5-nitro-2,3-dihydro-1H-indene

Systemtic Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-nitro-2,3-dihydro-1H-indene Openeye Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-nitroindane CAS Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-nitro-2,3-dihydro-1H-indene IUPAC Name: N-methyl-2-(4-nitrophenyl)ethanamine; 5-nitro-2,3-dihydro-1H-indene Traditional Name: methyl-[2-(4-nitrophenyl)ethyl]amine; 5-nitroindane Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC=C(C=C1)[N+](=O)[O-].C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNCCC1=CC=C(C=C1)[N+](=O)[O-].C1CC2=C(C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O2.C9H9NO2/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;11-10(12)9-5-4-7-2-1-3-8(7)6-9/h2-5,10H,6-7H2,1H3;4-6H,1-3H2