propyl 5-azanyl-4-nitro-2-propoxy-benzoate

Systemtic Name: propyl 5-azanyl-4-nitro-2-propoxy-benzoate Openeye Name: propyl 5-amino-4-nitro-2-propoxy-benzoate CAS Name: 5-amino-4-nitro-2-propoxybenzoic acid propyl ester IUPAC Name: propyl 5-amino-4-nitro-2-propoxybenzoate Traditional Name: 5-amino-4-nitro-2-propoxy-benzoic acid propyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C(=O)OCCC)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1C(=O)OCCC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-3-5-19-12-8-11(15(17)18)10(14)7-9(12)13(16)20-6-4-2/h7-8H,3-6,14H2,1-2H3