2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline

Systemtic Name: 2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline Openeye Name: 2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propyl-aniline CAS Name: 2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline IUPAC Name: 2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline Traditional Name: [2-[4-(3-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-phenyl]-propyl-amine Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(C=CC=C3O2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC3=C(C=CC=C3O2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O3/c1-2-11-24-19-10-9-16(26(27)28)13-18(19)22-25-21-17(7-4-8-20(21)29-22)14-5-3-6-15(23)12-14/h3-10,12-13,24H,2,11H2,1H3