ethyl 3-(6-azanyl-2-chloranyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(6-azanyl-2-chloranyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(6-amino-2-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxo-propanoate CAS Name: 3-(6-amino-2-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-amino-2-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoate Traditional Name: 3-(6-amino-2-chloro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-keto-propionic acid ethyl ester Formula: C17H17ClN3O3+ MolecularWeight: 346.78818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C2=C(C[N+]3=CC=CC3=C1N)C=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C(=O)CN1C2=C(C[N+]3=CC=CC3=C1N)C=C(C=C2)Cl

InChI

InChI=1S/C17H16ClN3O3/c1-2-24-17(23)15(22)10-21-13-6-5-12(18)8-11(13)9-20-7-3-4-14(20)16(21)19/h3-8,19H,2,9-10H2,1H3/p+1