methyl 5-[4-(1-azanylethyl)-2-methoxy-5-nitro-phenoxy]pentanoate

Systemtic Name: methyl 5-[4-(1-azanylethyl)-2-methoxy-5-nitro-phenoxy]pentanoate Openeye Name: methyl 5-[4-(1-aminoethyl)-2-methoxy-5-nitro-phenoxy]pentanoate CAS Name: 5-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(1-aminoethyl)-2-methoxy-5-nitrophenoxy]pentanoate Traditional Name: 5-[4-(1-aminoethyl)-2-methoxy-5-nitro-phenoxy]valeric acid methyl ester Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O6/c1-10(16)11-8-13(21-2)14(9-12(11)17(19)20)23-7-5-4-6-15(18)22-3/h8-10H,4-7,16H2,1-3H3