N-[4-azanyl-3-nitro-5-(2-oxidanylpropyl)phenyl]-N-(2-chloroethyl)carbamate

Systemtic Name: N-[4-azanyl-3-nitro-5-(2-oxidanylpropyl)phenyl]-N-(2-chloroethyl)carbamate Openeye Name: N-[4-amino-3-(2-hydroxypropyl)-5-nitro-phenyl]-N-(2-chloroethyl)carbamate CAS Name: N-[4-amino-3-(2-hydroxypropyl)-5-nitrophenyl]-N-(2-chloroethyl)carbamate IUPAC Name: N-[4-amino-3-(2-hydroxypropyl)-5-nitrophenyl]-N-(2-chloroethyl)carbamate Traditional Name: N-[4-amino-3-(2-hydroxypropyl)-5-nitro-phenyl]-N-(2-chloroethyl)carbamate Formula: C12H15ClN3O5- MolecularWeight: 316.7176

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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)/p-1