N-[4-(2-isocyanatoethyl)phenyl]-2-nitro-aniline

Systemtic Name: N-[4-(2-isocyanatoethyl)phenyl]-2-nitro-aniline Openeye Name: N-[4-(2-isocyanatoethyl)phenyl]-2-nitro-aniline CAS Name: N-[4-(2-isocyanatoethyl)phenyl]-2-nitroaniline IUPAC Name: N-[4-(2-isocyanatoethyl)phenyl]-2-nitroaniline Traditional Name: [4-(2-isocyanatoethyl)phenyl]-(2-nitrophenyl)amine Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=CC=C(C=C2)CCN=C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)CCN=C=O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O3/c19-11-16-10-9-12-5-7-13(8-6-12)17-14-3-1-2-4-15(14)18(20)21/h1-8,17H,9-10H2