N-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]-4-nitro-1,3-benzoxazol-2-amine

Systemtic Name: N-[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]-4-nitro-1,3-benzoxazol-2-amine Openeye Name: N-[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]-4-nitro-1,3-benzoxazol-2-amine CAS Name: N-[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]-4-nitro-1,3-benzoxazol-2-amine IUPAC Name: N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-4-nitro-1,3-benzoxazol-2-amine Traditional Name: [1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]-(4-nitro-1,3-benzoxazol-2-yl)amine Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(C=CC=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(C=CC=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H23ClN4O4/c1-2-29-19-12-14(6-7-16(19)22)13-25-10-8-15(9-11-25)23-21-24-20-17(26(27)28)4-3-5-18(20)30-21/h3-7,12,15H,2,8-11,13H2,1H3,(H,23,24)