methyl 4-(2-azanylpropoxy)-3-nitro-benzoate

Systemtic Name: methyl 4-(2-azanylpropoxy)-3-nitro-benzoate Openeye Name: methyl 4-(2-aminopropoxy)-3-nitro-benzoate CAS Name: 4-(2-aminopropoxy)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-aminopropoxy)-3-nitrobenzoate Traditional Name: 4-(2-aminopropoxy)-3-nitro-benzoic acid methyl ester Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])N

Isomeric SMILES

CC(COC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])N

InChI

InChI=1S/C11H14N2O5/c1-7(12)6-18-10-4-3-8(11(14)17-2)5-9(10)13(15)16/h3-5,7H,6,12H2,1-2H3