2-[5-(4-chloranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline

Systemtic Name: 2-[5-(4-chloranyl-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline Openeye Name: 2-[5-(4-chloro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline CAS Name: 2-[5-(4-chloro-3-methylphenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline IUPAC Name: 2-[5-(4-chloro-3-methylphenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline Traditional Name: [2-[5-(4-chloro-3-methyl-phenyl)-1,3-benzoxazol-2-yl]-4-nitro-phenyl]-propyl-amine Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC(=C(C=C4)Cl)C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(O2)C=CC(=C3)C4=CC(=C(C=C4)Cl)C

InChI

InChI=1S/C23H20ClN3O3/c1-3-10-25-20-8-6-17(27(28)29)13-18(20)23-26-21-12-16(5-9-22(21)30-23)15-4-7-19(24)14(2)11-15/h4-9,11-13,25H,3,10H2,1-2H3