azanyl 3-[3-(4-azanyl-4-oxidanylidene-butanoyl)-4-(4-carbamimidoylphenyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propanoate

Systemtic Name: azanyl 3-[3-(4-azanyl-4-oxidanylidene-butanoyl)-4-(4-carbamimidoylphenyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propanoate Openeye Name: amino 3-[3-(4-amino-4-oxo-butanoyl)-4-(4-carbamimidoylphenyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propanoate CAS Name: 3-[3-(4-amino-1,4-dioxobutyl)-4-(4-carbamimidoylphenyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propanoic acid amino ester IUPAC Name: amino 3-[3-(4-amino-4-oxobutanoyl)-4-(4-carbamimidoylphenyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propanoate Traditional Name: 3-[4-(4-amidinophenyl)-3-(4-amino-4-keto-butanoyl)-2-nitro-2H-1,3-benzoxazol-5-yl]propionic acid amino ester Formula: C21H22N6O7 MolecularWeight: 470.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC3=C2N(C(O3)[N+](=O)[O-])C(=O)CCC(=O)N)CCC(=O)ON)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC3=C2N(C(O3)[N+](=O)[O-])C(=O)CCC(=O)N)CCC(=O)ON)C(=N)N

InChI

InChI=1S/C21H22N6O7/c22-15(28)8-9-16(29)26-19-14(33-21(26)27(31)32)7-5-12(6-10-17(30)34-25)18(19)11-1-3-13(4-2-11)20(23)24/h1-5,7,21H,6,8-10,25H2,(H2,22,28)(H3,23,24)