N-[(4-bromanylnaphthalen-1-yl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole

Systemtic Name: N-[(4-bromanylnaphthalen-1-yl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole Openeye Name: N-[(4-bromo-1-naphthyl)methyl]-4-nitro-aniline; 1H-1,2,4-triazole CAS Name: N-[(4-bromo-1-naphthalenyl)methyl]-4-nitroaniline; 1H-1,2,4-triazole IUPAC Name: N-[(4-bromonaphthalen-1-yl)methyl]-4-nitroaniline; 1H-1,2,4-triazole Traditional Name: (4-bromo-1-naphthyl)methyl-(4-nitrophenyl)amine; 1H-1,2,4-triazole Formula: C19H16BrN5O2 MolecularWeight: 426.26664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)CNC3=CC=C(C=C3)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)CNC3=CC=C(C=C3)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C17H13BrN2O2.C2H3N3/c18-17-10-5-12(15-3-1-2-4-16(15)17)11-19-13-6-8-14(9-7-13)20(21)22;1-3-2-5-4-1/h1-10,19H,11H2;1-2H,(H,3,4,5)