[4-azanyl-3-nitro-5-(2-oxidanylpropyl)phenyl]-(2-chloroethyl)carbamic acid

Systemtic Name: [4-azanyl-3-nitro-5-(2-oxidanylpropyl)phenyl]-(2-chloroethyl)carbamic acid Openeye Name: [4-amino-3-(2-hydroxypropyl)-5-nitro-phenyl]-(2-chloroethyl)carbamic acid CAS Name: [4-amino-3-(2-hydroxypropyl)-5-nitrophenyl]-(2-chloroethyl)carbamic acid IUPAC Name: [4-amino-3-(2-hydroxypropyl)-5-nitrophenyl]-(2-chloroethyl)carbamic acid Traditional Name: [4-amino-3-(2-hydroxypropyl)-5-nitro-phenyl]-(2-chloroethyl)carbamic acid Formula: C12H16ClN3O5 MolecularWeight: 317.72554

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1N)[N+](=O)[O-])N(CCCl)C(=O)O)O

Isomeric SMILES

CC(CC1=CC(=CC(=C1N)[N+](=O)[O-])N(CCCl)C(=O)O)O

InChI

InChI=1S/C12H16ClN3O5/c1-7(17)4-8-5-9(15(3-2-13)12(18)19)6-10(11(8)14)16(20)21/h5-7,17H,2-4,14H2,1H3,(H,18,19)